K953-0510 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

K953-0510 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
K953-0510 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0510
N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K953-0510

Molecular Formula

C23H17NO3S (C23 H17 NO3 S)

Compound Name

N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

SMILES

CSc1cc(NC(C(O2)=C(c3ccccc3)c(cccc3)c3C2=O)=O)ccc1

InChI

InChI=1S/C23H17NO3S/c1-28-17-11-7-10-16(14-17)24-22(25)21-20(15-8-3-2-4-9-15)18-12-5-6-13-19(18)23(26)27-21/h2-14H,1H3,(H,24,25)

InChI Key

ZMUJBPVFIKODBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.65

Polar Surface Area

44.059

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

K953-0510 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K953-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0510?
Check Price and Availability of K953-0510, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K953-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0510
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K953-0510 available by request